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Clinafloxacin hydrochloride - 10mM in DMSO, high purity , CAS No.105956-99-8
Potent, broad spectrum fluoroquinolone antibiotic
Basic Description
Synonyms
Clinafloxacin hydrochloride | 105956-99-8 | Clinafloxacin HCl | Clinafoxacin HCl | CI-960 HCl | Clinafloxacin hydrochloride [USAN] | NSC-759859 | G17M59V0FY | Clinafloxacin (hydrochloride) | (+-)-7-(3-Amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Potent, broad spectrum fluoroquinolone antibiotic (MIC 90 = 20-311 nM). Inhibits topoisomerase IV. Orally active.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Fluoroquinolones Aminoquinolines and derivatives Hydroquinolones Chloroquinolines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Aryl chlorides Aryl fluorides Benzenoids Vinylogous amides Pyrrolidines Heteroaromatic compounds Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl chloride - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Amine - Hydrochloride - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
INCHI
InChI=1S/C17H17ClFN3O3.ClH/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9;/h5,7-9H,1-4,6,20H2,(H,24,25);1H
InChIKey
BMACYHMTJHBPOX-UHFFFAOYSA-N
Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O.Cl
Isomeric SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O.Cl
Molecular Weight
402.25
Reaxy-Rn
7107995
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7107995&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
402.200 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
401.071 Da
Monoisotopic Mass
401.071 Da
Topological Polar Surface Area
86.900 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
626.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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